0  B5R0.3  C=C[C@@H](O)CO 4518 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.3  CNC(=O)NN 657 [0,0,0,0,0,0|3,0,0]=3
2  B6R0.3  C#CC(=O)C(C)C 1200 [0,1,0,0,0,0|1,0,2]=4
3  B3R0.1  COCCl 1789 [2,0,0,0,0,0|1,0,1]=4
4  B5R0.1  C=CC[N+](=O)[O-] 4236 [1,1,0,0,0,0|1,0,1]=4
5  B5R0.1  O=C(O)\C=N\O 1812 [1,1,0,0,0,0|1,0,0]=3
6  B7R0.3  CCC(=O)\C=C\C=O 4517 [0,2,0,0,0,0|1,0,0]=3
7  B7R0.10  C=C(CBr)C(=O)OC 1082 [0,2,0,0,0,0|0,0,0]=2
8  B7R1.4  CN1C=NC=C1N 4207 [0,1,0,1,0,0|2,0,0]=4